4-[(2-methoxypropylamino)methyl]oxolan-3-amine

C9H20N2O2 — CID 102698761

IUPAC4-[(2-methoxypropylamino)methyl]oxolan-3-amine
SMILESCOC(C)CNCC1COCC1N
InChIInChI=1S/C9H20N2O2/c1-7(12-2)3-11-4-8-5-13-6-9(8)10/h7-9,11H,3-6,10H2,1-2H3
InChIKeyQPYKEQICGUNVRU-UHFFFAOYSA-N
MW188.27 g/mol
LogP-0.42
Rot. Bonds5

About 4-[(2-methoxypropylamino)methyl]oxolan-3-amine

4-[(2-methoxypropylamino)methyl]oxolan-3-amine (PubChem CID 102698761) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 4-[(2-methoxypropylamino)methyl]oxolan-3-amine.

Molecular Properties

Compound Name4-[(2-methoxypropylamino)methyl]oxolan-3-amine
PubChem CID102698761
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC Name4-[(2-methoxypropylamino)methyl]oxolan-3-amine
SMILESCOC(C)CNCC1COCC1N
InChIInChI=1S/C9H20N2O2/c1-7(12-2)3-11-4-8-5-13-6-9(8)10/h7-9,11H,3-6,10H2,1-2H3
InChIKeyQPYKEQICGUNVRU-UHFFFAOYSA-N
XLogP-0.42
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxypropylamino)methyl]oxolan-3-amine?
The IUPAC name of 4-[(2-methoxypropylamino)methyl]oxolan-3-amine (CID 102698761) is 4-[(2-methoxypropylamino)methyl]oxolan-3-amine.
What is the SMILES notation for 4-[(2-methoxypropylamino)methyl]oxolan-3-amine?
The canonical SMILES for 4-[(2-methoxypropylamino)methyl]oxolan-3-amine is COC(C)CNCC1COCC1N.
What is the InChIKey of 4-[(2-methoxypropylamino)methyl]oxolan-3-amine?
The InChIKey is QPYKEQICGUNVRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-7(12-2)3-11-4-8-5-13-6-9(8)10/h7-9,11H,3-6,10H2,1-2H3.
What are the key properties of 4-[(2-methoxypropylamino)methyl]oxolan-3-amine?
4-[(2-methoxypropylamino)methyl]oxolan-3-amine has a molecular weight of 188.27 g/mol, XLogP of -0.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxypropylamino)methyl]oxolan-3-amine is sourced from PubChem (CID 102698761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).